Hello, Yeap, I have seen the links on ATB. Indeed, the conversion of the bonded terms (in this file 54a8.ifp ?) will be not too hard, but it is not the case for the AA topology where several changes were done.
So any help will be appreciate.. Stephane ------------------------------ Message: 5 Date: Thu, 14 Feb 2013 11:18:17 +0100 From: "lloyd riggs" <lloyd.ri...@gmx.ch> Subject: Re: [gmx-users] GROMOS54A8 parameters in GROMACS format To: Discussion list for GROMACS users <gmx-users@gromacs.org> Message-ID: <20130214101817.72...@gmx.net> Content-Type: text/plain; charset="utf-8" Dear Stephane Abel, Theres a link I on the gromacs web site to ATB, or you can google it. If it is not in Gromacs format you can just write a couple 6 liner scripts to re-format it by parsing into the gromacs format, Stephan Watkins -------- Original-Nachricht -------- > Datum: Wed, 13 Feb 2013 21:25:33 +0000 > Von: ABEL Stephane 175950 <stephane.a...@cea.fr> > An: "gmx-users@gromacs.org" <gmx-users@gromacs.org> > Betreff: [gmx-users] GROMOS54A8 parameters in GROMACS format > Hello all, > > Does somebody know where i can find the latest GROMOS force field (i.e. > GROMOS54A8) described in [1] in the GROMACS format (gromos54a7.ff) ? > > [1] Reif et al. J. Chem. Theory Comput. 2013, 9, 1247???1264 doi: > http://pubs.acs.org/doi/citedby/10.1021/ct300156h > > Thank you > > Stephane ------------------------------ -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! End of gmx-users Digest, Vol 106, Issue 73 ****************************************** -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
